5WW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAT | OAR | sing | 1.43Å | 1.44Å | |
| OAR | CAP | sing | 1.36Å | 1.38Å | |
| CAP | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAO | CAN | sing | 1.38Å | 1.38Å | Aromatic |
| CAN | CAL | doub | 1.40Å | 1.41Å | Aromatic |
| CAL | CAI | sing | 1.48Å | 1.41Å | |
| CAI | CAH | doub | 1.36Å | 1.41Å | |
| CAI | NAJ | sing | 1.38Å | 1.42Å | |
| CAH | CAE | sing | 1.42Å | 1.41Å | |
| CAE | CAD | sing | 1.40Å | 1.43Å | Aromatic |
| CAE | CAF | doub | 1.41Å | 1.43Å | Aromatic |
| CAD | NAS | sing | 1.39Å | 1.35Å | |
| CAD | CAC | doub | 1.38Å | 1.41Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | CAA | doub | 1.38Å | 1.40Å | Aromatic |
| CAA | CAF | sing | 1.40Å | 1.38Å | Aromatic |
| CAF | CAG | sing | 1.47Å | 1.39Å | |
| CAG | OAK | doub | 1.22Å | 1.24Å | |
| CAG | NAJ | sing | 1.35Å | 1.40Å | |
| CAT | HAT1 | sing | 1.09Å | 1.10Å | |
| CAT | HAT2 | sing | 1.09Å | 1.10Å | |
| CAT | HAT3 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAJ | HAJ | sing | 0.97Å | 1.00Å | |
| NAS | HAS1 | sing | 0.97Å | 1.00Å | |
| NAS | HAS2 | sing | 0.97Å | 1.00Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | OAR | CAP | 113.0° | 117.0° |
| OAR | CAT | HAT1 | 109.5° | 109.5° |
| OAR | CAT | HAT2 | 109.5° | 109.5° |
| OAR | CAT | HAT3 | 109.5° | 109.5° |
| OAR | CAP | CAQ | 122.2° | 119.9° |
| OAR | CAP | CAO | 119.8° | 119.9° |
| CAQ | CAP | CAO | 118.0° | 120.2° |
| CAP | CAQ | CAM | 121.1° | 120.1° |
| CAP | CAQ | HAQ | 119.5° | 120.0° |
| CAP | CAO | CAN | 121.3° | 120.1° |
| CAP | CAO | HAO | 119.3° | 119.9° |
| CAQ | CAM | CAL | 120.6° | 119.9° |
| CAM | CAQ | HAQ | 119.4° | 120.0° |
| CAQ | CAM | HAM | 119.7° | 120.0° |
| CAM | CAL | CAN | 117.4° | 119.8° |
| CAM | CAL | CAI | 121.4° | 120.1° |
| CAL | CAM | HAM | 119.7° | 120.1° |
| CAO | CAN | CAL | 121.4° | 119.9° |
| CAN | CAO | HAO | 119.4° | 119.9° |
| CAO | CAN | HAN | 119.3° | 120.1° |
| CAN | CAL | CAI | 120.8° | 120.1° |
| CAL | CAN | HAN | 119.3° | 120.0° |
| CAL | CAI | CAH | 121.4° | 118.9° |
| CAL | CAI | NAJ | 119.2° | 118.9° |
| CAH | CAI | NAJ | 118.9° | 122.1° |
| CAI | CAH | CAE | 120.0° | 120.0° |
| CAI | CAH | HAH | 120.0° | 120.0° |
| CAI | NAJ | CAG | 121.9° | 121.4° |
| CAI | NAJ | HAJ | 119.1° | 119.3° |
| CAH | CAE | CAD | 120.3° | 121.6° |
| CAH | CAE | CAF | 119.2° | 118.9° |
| CAE | CAH | HAH | 120.0° | 120.0° |
| CAD | CAE | CAF | 120.5° | 119.5° |
| CAE | CAD | NAS | 124.0° | 120.3° |
| CAE | CAD | CAC | 119.1° | 119.4° |
| CAE | CAF | CAA | 119.4° | 119.8° |
| CAE | CAF | CAG | 121.5° | 118.6° |
| NAS | CAD | CAC | 116.9° | 120.3° |
| CAD | NAS | HAS1 | 109.5° | 119.9° |
| CAD | NAS | HAS2 | 109.5° | 120.0° |
| CAD | CAC | CAB | 118.4° | 120.7° |
| CAD | CAC | HAC | 120.8° | 119.6° |
| CAC | CAB | CAA | 123.1° | 120.8° |
| CAB | CAC | HAC | 120.8° | 119.7° |
| CAC | CAB | HAB | 118.5° | 119.6° |
| CAB | CAA | CAF | 119.4° | 119.8° |
| CAA | CAB | HAB | 118.5° | 119.7° |
| CAB | CAA | HAA | 120.3° | 120.1° |
| CAA | CAF | CAG | 119.1° | 121.7° |
| CAF | CAA | HAA | 120.3° | 120.1° |
| CAF | CAG | OAK | 123.2° | 120.5° |
| CAF | CAG | NAJ | 118.3° | 119.0° |
| OAK | CAG | NAJ | 118.5° | 120.5° |
| CAG | NAJ | HAJ | 119.1° | 119.3° |
| HAT1 | CAT | HAT2 | 109.5° | 109.5° |
| HAT1 | CAT | HAT3 | 109.5° | 109.4° |
| HAT2 | CAT | HAT3 | 109.5° | 109.5° |
| HAS1 | NAS | HAS2 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | OAR | CAP | CAQ | 46.0° | 180.0° |
| CAT | OAR | CAP | CAO | 136.0° | 0.2° |
| OAR | CAT | HAT1 | HAT2 | 120.0° | 120.0° |
| OAR | CAT | HAT1 | HAT3 | 120.0° | 120.0° |
| OAR | CAT | HAT2 | HAT3 | 120.0° | 120.0° |
| OAR | CAP | CAQ | CAO | 177.9° | 179.7° |
| OAR | CAP | CAQ | CAM | 179.6° | 180.0° |
| OAR | CAP | CAO | CAN | 179.9° | 180.0° |
| CAP | OAR | CAT | HAT1 | 180.0° | 180.0° |
| CAP | OAR | CAT | HAT2 | 60.0° | 60.0° |
| CAP | OAR | CAT | HAT3 | 60.0° | 60.0° |
| OAR | CAP | CAQ | HAQ | 0.5° | 0.0° |
| OAR | CAP | CAO | HAO | 0.1° | 0.1° |
| CAP | CAQ | CAM | HAQ | 180.0° | 179.9° |
| CAP | CAQ | CAM | CAL | 2.7° | 0.0° |
| CAQ | CAP | CAO | CAN | 1.9° | 0.3° |
| CAQ | CAP | CAO | HAO | 178.1° | 179.7° |
| CAP | CAQ | CAM | HAM | 177.3° | 179.9° |
| CAO | CAP | CAQ | CAM | 1.6° | 0.3° |
| CAP | CAO | CAN | HAO | 180.0° | 179.9° |
| CAP | CAO | CAN | CAL | 3.3° | 0.0° |
| CAO | CAP | CAQ | HAQ | 178.4° | 179.8° |
| CAP | CAO | CAN | HAN | 176.7° | 180.0° |
| CAQ | CAM | CAL | HAM | 180.0° | 180.0° |
| CAQ | CAM | CAL | CAN | 3.9° | 0.3° |
| CAQ | CAM | CAL | CAI | 176.5° | 180.0° |
| CAM | CAL | CAN | CAO | 4.2° | 0.3° |
| CAM | CAL | CAN | CAI | 172.7° | 179.7° |
| CAM | CAL | CAI | CAH | 5.1° | 180.0° |
| CAM | CAL | CAI | NAJ | 177.5° | 0.2° |
| CAL | CAM | CAQ | HAQ | 177.3° | 180.0° |
| CAM | CAL | CAN | HAN | 175.8° | 179.7° |
| CAO | CAN | CAL | HAN | 180.0° | 180.0° |
| CAO | CAN | CAL | CAI | 176.9° | 180.0° |
| CAN | CAL | CAI | CAH | 167.3° | 0.2° |
| CAN | CAL | CAI | NAJ | 5.1° | 180.0° |
| CAL | CAN | CAO | HAO | 176.7° | 180.0° |
| CAN | CAL | CAM | HAM | 176.1° | 179.8° |
| CAL | CAI | CAH | NAJ | 172.5° | 179.8° |
| CAL | CAI | CAH | CAE | 175.9° | 180.0° |
| CAL | CAI | NAJ | CAG | 177.6° | 179.7° |
| CAI | CAL | CAM | HAM | 3.5° | 0.0° |
| CAI | CAL | CAN | HAN | 3.1° | 0.0° |
| CAL | CAI | CAH | HAH | 4.1° | 0.1° |
| CAL | CAI | NAJ | HAJ | 2.4° | 0.1° |
| CAI | CAH | CAE | HAH | 180.0° | 179.9° |
| CAI | CAH | CAE | CAD | 178.1° | 180.0° |
| CAI | CAH | CAE | CAF | 1.2° | 0.0° |
| CAH | CAI | NAJ | CAG | 5.0° | 0.5° |
| CAH | CAI | NAJ | HAJ | 175.0° | 179.7° |
| NAJ | CAI | CAH | CAE | 3.5° | 0.2° |
| CAI | NAJ | CAG | CAF | 4.1° | 0.5° |
| CAI | NAJ | CAG | OAK | 175.8° | 179.8° |
| CAI | NAJ | CAG | HAJ | 180.0° | 179.8° |
| NAJ | CAI | CAH | HAH | 176.5° | 179.7° |
| CAH | CAE | CAD | CAF | 179.4° | 180.0° |
| CAH | CAE | CAD | NAS | 0.0° | 0.0° |
| CAH | CAE | CAD | CAC | 179.4° | 180.0° |
| CAH | CAE | CAF | CAA | 178.1° | 180.0° |
| CAH | CAE | CAF | CAG | 0.3° | 0.0° |
| CAE | CAD | NAS | CAC | 179.4° | 180.0° |
| CAE | CAD | CAC | CAB | 1.0° | 0.0° |
| CAD | CAE | CAF | CAA | 2.5° | 0.1° |
| CAD | CAE | CAF | CAG | 179.0° | 180.0° |
| CAD | CAE | CAH | HAH | 1.8° | 0.0° |
| CAE | CAD | NAS | HAS1 | 180.0° | 0.0° |
| CAE | CAD | NAS | HAS2 | 60.0° | 180.0° |
| CAE | CAD | CAC | HAC | 179.0° | 180.0° |
| CAF | CAE | CAD | NAS | 179.4° | 180.0° |
| CAF | CAE | CAD | CAC | 1.2° | 0.0° |
| CAE | CAF | CAA | CAB | 1.5° | 0.1° |
| CAE | CAF | CAA | CAG | 178.5° | 179.9° |
| CAE | CAF | CAG | OAK | 178.2° | 180.0° |
| CAE | CAF | CAG | NAJ | 1.7° | 0.3° |
| CAF | CAE | CAH | HAH | 178.8° | 179.9° |
| CAE | CAF | CAA | HAA | 178.5° | 179.9° |
| NAS | CAD | CAC | CAB | 178.4° | 180.0° |
| CAD | NAS | HAS1 | HAS2 | 120.0° | 180.0° |
| NAS | CAD | CAC | HAC | 1.6° | 0.0° |
| CAD | CAC | CAB | HAC | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 2.1° | 0.0° |
| CAC | CAD | NAS | HAS1 | 0.6° | 180.0° |
| CAC | CAD | NAS | HAS2 | 119.3° | 0.0° |
| CAD | CAC | CAB | HAB | 177.9° | 180.0° |
| CAC | CAB | CAA | HAB | 180.0° | 180.0° |
| CAC | CAB | CAA | CAF | 0.8° | 0.0° |
| CAC | CAB | CAA | HAA | 179.2° | 180.0° |
| CAB | CAA | CAF | HAA | 180.0° | 180.0° |
| CAB | CAA | CAF | CAG | 180.0° | 180.0° |
| CAA | CAB | CAC | HAC | 177.9° | 180.0° |
| CAA | CAF | CAG | OAK | 3.4° | 0.1° |
| CAA | CAF | CAG | NAJ | 176.7° | 179.8° |
| CAF | CAA | CAB | HAB | 179.2° | 180.0° |
| CAF | CAG | OAK | NAJ | 179.9° | 179.7° |
| CAF | CAG | NAJ | HAJ | 176.0° | 179.7° |
| CAG | CAF | CAA | HAA | 0.0° | 0.0° |
| OAK | CAG | NAJ | HAJ | 4.1° | 0.0° |
| HAT1 | CAT | HAT2 | HAT3 | 120.0° | 120.0° |
| HAQ | CAQ | CAM | HAM | 2.7° | 0.0° |
| HAO | CAO | CAN | HAN | 3.3° | 0.0° |
| HAC | CAC | CAB | HAB | 2.1° | 0.0° |
| HAB | CAB | CAA | HAA | 0.8° | 0.0° |
